Compound Detail
CHEMBL468495
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Basic Information
| ChEMBL ID | CHEMBL468495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKJDIDUPEGBVKA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
0.63
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Kd 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| D-amino-acid oxidase CHEMBL5756 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | Kd | = | 2.0 | nM | 8.7 | Binding affinity to biotinylated human recombinant DAAO by Biacore assay | 19438227 |
| D-amino-acid oxidase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human recombinant DAAO expressed in sf9 insect cells assessed as d... | 19438227 |
| D-amino-acid oxidase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of rat recombinant DAAO expressed in sf9 insect cells assessed as deg... | 19438227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19438227 | 10.1021/jm900128w | D-amino-acid oxidase | 3 |
| 19438227 | 10.1021/jm900128w | Unchecked | 2 |
| 19438227 | 10.1021/jm900128w | D-aspartate oxidase | 1 |
Data from ChEMBL 36 via Core Engine